Information card for entry 7228033

Structure parameters

• Chemical name: DUT-129
• Formula: C52 H60 N4 O8 Zn
• Calculated formula: C52 H60 N4 O8 Zn
• Title of publication: Synthesis of the homochiral metal-organic framework DUT-129 based on a chiral dicarboxylate linker with 6 stereocenters.
• Authors of publication: Kutzscher, Christel; Müller, Daniel; Notzon, Andreas; Stoeck, Ulrich; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 32.49 ± 0.005 Å
• b: 32.49 ± 0.005 Å
• c: 25.78 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27213 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.88561 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No